11th International Conference on Health Effects of Incorporated Radionuclides

Ansoborlo, É.; Ménager, Marie-Thérèse; Abergel, Rebecca J.

doi:10.3109/09553002.2014.965603

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2017

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“…The areas of study have expanded in recent years with applications in the fields of nuclear toxicology [3][4][5][6], cancer therapy (e.g., the radioisotope 225 Ac of actinium is an alpha emitter useful for targeted radiotherapy [7]), analytical chemistry [8], and in basic research in structural chemistry and reaction mechanisms [9]. All these applications have in common the need to develop pre-organised chelating agents.…”

Section: Introductionmentioning

confidence: 99%

Electronic structure theory to decipher the chemical bonding in actinide systems

Dognon

2017

Coordination Chemistry Reviews

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International audienceThe chemical bonding in actinide compounds is usually analysed by inspecting the shape and the occupation of the orbitals or by calculating bond orders which are based on orbital overlap and occupation numbers. However, this may not give a definite answer because the choice of the partitioning method may strongly influence the result possibly leading to qualitatively different answers. In this review, we summarized the state-of-the-art of methods dedicated to the theoretical characterisation of bonding including charge, orbital, quantum chemical topology and energy decomposition analyses. This review is not exhaustive but aims to highlight some of the ways opened up by recent methodological developments. Various examples have been chosen to illustrate this progress

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Section: Introductionmentioning

confidence: 99%

Electronic structure theory to decipher the chemical bonding in actinide systems

Dognon

2017

Coordination Chemistry Reviews

View full text Add to dashboard Cite

show abstract

11th International Conference on Health Effects of Incorporated Radionuclides

Cited by 1 publication

References 23 publications

Electronic structure theory to decipher the chemical bonding in actinide systems

Electronic structure theory to decipher the chemical bonding in actinide systems

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